S-[2-[4-methyl-3-(3-methylbutylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-3-(3-methylbutylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(isopentylcarbamoylamino)-4-methyl-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[(3-methylbutylamino)-oxomethyl]amino]-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(3-methylbutylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-hydrocinnamoyl-3-(isoamylcarbamoylamino)-4-methyl-piperazin-2-yl]ethyl] ester Formula: C24H38N4O3S MolecularWeight: 462.64852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1C(N(CCN1C)C(=O)CCC2=CC=CC=C2)CCSC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC1C(N(CCN1C)C(=O)CCC2=CC=CC=C2)CCSC(=O)C

InChI

InChI=1S/C24H38N4O3S/c1-18(2)12-14-25-24(31)26-23-21(13-17-32-19(3)29)28(16-15-27(23)4)22(30)11-10-20-8-6-5-7-9-20/h5-9,18,21,23H,10-17H2,1-4H3,(H2,25,26,31)